Marvin  07200617372D          

 23 22  0  0  0  0            999 V2000
   -4.0980    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3836    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6691    3.7375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6691    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9546    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8125    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5270    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3520    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0664    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7809    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7809    1.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0664    1.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3520    1.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5270    1.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0980    1.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3836    1.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6059    1.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8125    1.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6059    2.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0184    2.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6691    1.4836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9546    1.8961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2401    1.4836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
  4  3  2  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 19  2  0  0  0  0
 17 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 18  1  0  0  0  0
 18 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <ID>
CHEBI:34306

> <NAME>
20-HETE

> <DEFINITION>
A HETE that consists of arachidonic acid bearing a hydroxy substituent at position 20.

> <STAR>
3

> <SYNONYM>
20-Hydroxyicosatetraenoic acid; 20-Hydroxyeicosatetraenoic acid; 20-hydroxyarachidonic acid; 20-Hydroxy arachidonic acid; 20-HETE; 20-HETE; 20-Hete; (5Z,8Z,11Z,14Z)-20-Hydroxyicosa-5,8,11,14-tetraenoic acid

> <IUPAC_NAME>
(5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoic acid

> <FORMULA>
C20H32O3

> <MASS>
320.46628

> <MONOISOTOPIC_MASS>
320.23514

> <CHARGE>
0

> <SMILES>
OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O

> <INCHI>
InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-

> <INCHIKEY>
NNDIXBJHNLFJJP-DTLRTWKJSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4693091

> <CAS_REGISTRY_NUMBER>
79551-86-3

> <CHEMIDPLUS>
79551-86-3

> <KEGG_COMPOUND_ACCESSION>
C14748

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA03060009

$$$$